4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide

C18H17ClN2O2S2 — CID 108780120

IUPAC4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C18H17ClN2O2S2/c1-13-21-18(12-24-13)15-4-2-14(3-5-15)10-11-20-25(22,23)17-8-6-16(19)7-9-17/h2-9,12,20H,10-11H2,1H3
InChIKeyLRVONLNTECJLKQ-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.29
Rot. Bonds6

About 4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide

4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide (PubChem CID 108780120) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide
PubChem CID108780120
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC Name4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C18H17ClN2O2S2/c1-13-21-18(12-24-13)15-4-2-14(3-5-15)10-11-20-25(22,23)17-8-6-16(19)7-9-17/h2-9,12,20H,10-11H2,1H3
InChIKeyLRVONLNTECJLKQ-UHFFFAOYSA-N
XLogP4.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide
CID 108780119
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-ethylbenzenesulfonamide
CID 20965733
4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317833
3-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
CID 8841474
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 46532724
2,4-dichloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 108725447
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429
4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 108749716

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide (CID 108780120) is 4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide is Cc1nc(-c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)cs1.
What is the InChIKey of 4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is LRVONLNTECJLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c1-13-21-18(12-24-13)15-4-2-14(3-5-15)10-11-20-25(22,23)17-8-6-16(19)7-9-17/h2-9,12,20H,10-11H2,1H3.
What are the key properties of 4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide?
4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 392.93 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 108780120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).